SCHEMBL2645321

SCHEMBL2645321

CCS(=O)(=O)c1csc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NOS1 P29475 2/20 0.43
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.39
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
GFER P55789 1/20 0.36
RECQL P46063 2/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
LTA4H P09960 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27802603 0.83 POLB (0.39) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL2642488 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL2642538 0.78 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AGFER
SCHEMBL2642587 0.77 LOXL2 (0.54)
SCHEMBL2642728 0.76 PSIP1 (0.30)
SCHEMBL2642730 0.76 PSIP1 (0.30)
SCHEMBL2645318 0.76 PSIP1 (0.30)
SCHEMBL2642537 0.76 PSIP1 (0.30)
SCHEMBL2637129 0.75 SMN1; SMN2 (0.41) SMN1; SMN2NOS1ALDH1A1NPC1MAPT
SCHEMBL2642584 0.73 LOXL2 (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 SMN1; SMN2 4125/4885NOS1 1423/4885ALDH1A1 1207/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 SMN1; SMN2 4142/4885NOS1 1500/4885ALDH1A1 1249/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 SMN1; SMN2 4125/4885NOS1 1423/4885ALDH1A1 1207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.